Cas no 120975-30-6 (4-nitro-1H-Indole-2-carbonitrile)
120975-30-6 structure
Product Name:4-nitro-1H-Indole-2-carbonitrile
CAS No:120975-30-6
MF:C9H5N3O2
MW:187.154901266098
CID:1101883
PubChem ID:14368903
Update Time:2025-04-20
4-nitro-1H-Indole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-nitro-1H-Indole-2-carbonitrile
- SSQKYXXODSFITD-UHFFFAOYSA-N
- DB-316676
- SCHEMBL396683
- 120975-30-6
-
- Inchi： 1S/C9H5N3O2/c10-5-6-4-7-8(11-6)2-1-3-9(7)12(13)14/h1-4,11H
- InChI Key： SSQKYXXODSFITD-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC2=C1C=C(C#N)N2)=O
Computed Properties
- Exact Mass: 187.038176411g/mol
- Monoisotopic Mass: 187.038176411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 85.4?2
4-nitro-1H-Indole-2-carbonitrile Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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